SCHEMBL6800447

SCHEMBL6800447

COC(OC)c1cc(O)cc(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
GLA P06280 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CA9 Q16790 4/20 0.37
CASP7 P55210 3/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B3 P37058 3/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6747789 0.82 CYP3A4 (0.48) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL8884317 0.79 CYP3A4 (0.46) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL2573803 0.77 CYP3A4 (0.56) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL8886719 0.72 CYP3A4 (0.50) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL6907119 0.71 RXRA (0.55) CYP3A4GLAMEN1KMT2AALDH1A1
4-Hydroxy-6-Methylpyran-2-One SCHEMBL320025 0.67
SCHEMBL8121427 0.67 TYR (0.45) CYP3A4GLAMEN1KMT2A
SCHEMBL22149723 0.67 MEN1 (0.44) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL22149728 0.67 CYP3A4 (0.44) CYP3A4GLAMEN1KMT2AALDH1A1
SCHEMBL22149253 0.67 MEN1 (0.44) CYP3A4GLAMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134696-B1 PROCESSES FOR THE PREPARATION OF STATINS, PARTICULARLY ROSUVASTATIN, AND INTERMEDIATES FOR THE PREPARATION THEREOF LEK PHARMACEUTICALS (SI) 2017-05-17 EP disclosed
US-8471045-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2013-06-25 US disclosed
US-20120196333-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2012-08-02 US disclosed
US-8183397-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2012-05-22 US disclosed
US-20110178295-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2011-07-21 US disclosed
WO-2008119810-A2 PROCESSES FOR THE PREPARATION OF STATINS, PARTICULARLY ROSUVASTATIN, AND INTERMEDIATES FOR THE PREPARATION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2008-10-09 WO disclosed
US-5670662-A Pyranones ZENECA LIMITED (GB) 1997-09-23 US disclosed
US-5527916-A Pyranones ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5443971-A Pyranones ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0604525-A1 ENZYMATIC PRODUCTION OF OPTICAL ISOMERS OF TETRAHYDROPYRAN-2-ONES ZENECA LIMITED (GB) 1994-07-06 EP disclosed
WO-1993006236-A1 ENZYMATIC PRODUCTION OF OPTICAL ISOMERS OF TETRAHYDROPYRAN-2-ONES ZENECA LIMITED (GB) 1993-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY CYP3A4 25/4885GLA 898/4885MEN1 2942/4885
US-20120196333-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY CYP3A4 25/4885GLA 898/4885MEN1 2942/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.